data_17209 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the nucleotide-free state ; _BMRB_accession_number 17209 _BMRB_flat_file_name bmr17209.str _Entry_type original _Submission_date 2010-09-27 _Accession_date 2010-09-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuravleva Anastasia . . 2 Gierasch Lila M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 326 "13C chemical shifts" 685 "15N chemical shifts" 326 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17208 'NBD(1-388) (ADP-bound state)' 17210 'NBD(1-392) (ATP-bound state)' 6229 'Entry containing backbone chemical shift assignments for the NBD of thermus thermophilus DnaK' stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Allosteric signal transmission in the nucleotide-binding domain of 70-kDa heat shock protein (Hsp70) molecular chaperones.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21482798 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuravleva Anastasia . . 2 Gierasch Lila M. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6987 _Page_last 6992 _Year 2011 _Details . loop_ _Keyword allostery 'conformational ensemble' DnaK 'Hsp70 molecular chaperone' 'interdomain linker' 'nucleotide-binding domain' 'subdomain motions' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Ref_1 _Saveframe_category citation _Citation_full . _Citation_title 'Nmrpipe - a Multidimensional Spectral Processing System Based on Unix Pipes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F. . . 2 Grzesiek S. . . 3 Vuister G. . . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details . save_ save_Ref_2 _Saveframe_category citation _Citation_full . _Citation_title 'Automated analysis of protein NMR assignments using methods from artificial intelligence' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zimmerman D. . . 2 Kulikowski C. . . 3 Huang Y. . . 4 Feng W. . . 5 Tashiro M. . . 6 Shimotakahara S. . . 7 Chien C. . . 8 Powers R. . . 9 Montelione G. . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 269 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 592 _Page_last 610 _Year 1997 _Details . save_ save_Ref_3 _Saveframe_category citation _Citation_full . _Citation_title 'Optimizing the process of nuclear magnetic resonance spectrum analysis and computer aided resonance assignment' _Citation_status published _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Keller R. . . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution ETH _Thesis_institution_city Zurich _Thesis_institution_country Switzerland _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NBD(1-388) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NBD $the_nucleotide-binding_domain_of_DnaK stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_the_nucleotide-binding_domain_of_DnaK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common the_nucleotide-binding_domain_of_DnaK _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'molecular chaperon' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 388 _Mol_residue_sequence ; MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGAF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIELL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 ILE 5 ILE 6 GLY 7 ILE 8 ASP 9 LEU 10 GLY 11 THR 12 THR 13 ASN 14 SER 15 CYS 16 VAL 17 ALA 18 ILE 19 MET 20 ASP 21 GLY 22 THR 23 THR 24 PRO 25 ARG 26 VAL 27 LEU 28 GLU 29 ASN 30 ALA 31 GLU 32 GLY 33 ASP 34 ARG 35 THR 36 THR 37 PRO 38 SER 39 ILE 40 ILE 41 ALA 42 TYR 43 THR 44 GLN 45 ASP 46 GLY 47 GLU 48 THR 49 LEU 50 VAL 51 GLY 52 GLN 53 PRO 54 ALA 55 LYS 56 ARG 57 GLN 58 ALA 59 VAL 60 THR 61 ASN 62 PRO 63 GLN 64 ASN 65 THR 66 LEU 67 PHE 68 ALA 69 ILE 70 LYS 71 ARG 72 LEU 73 ILE 74 GLY 75 ARG 76 ARG 77 PHE 78 GLN 79 ASP 80 GLU 81 GLU 82 VAL 83 GLN 84 ARG 85 ASP 86 VAL 87 SER 88 ILE 89 MET 90 PRO 91 PHE 92 LYS 93 ILE 94 ILE 95 ALA 96 ALA 97 ASP 98 ASN 99 GLY 100 ASP 101 ALA 102 TRP 103 VAL 104 GLU 105 VAL 106 LYS 107 GLY 108 GLN 109 LYS 110 MET 111 ALA 112 PRO 113 PRO 114 GLN 115 ILE 116 SER 117 ALA 118 GLU 119 VAL 120 LEU 121 LYS 122 LYS 123 MET 124 LYS 125 LYS 126 THR 127 ALA 128 GLU 129 ASP 130 TYR 131 LEU 132 GLY 133 GLU 134 PRO 135 VAL 136 THR 137 GLU 138 ALA 139 VAL 140 ILE 141 THR 142 VAL 143 PRO 144 ALA 145 TYR 146 PHE 147 ASN 148 ASP 149 ALA 150 GLN 151 ARG 152 GLN 153 ALA 154 THR 155 LYS 156 ASP 157 ALA 158 GLY 159 ARG 160 ILE 161 ALA 162 GLY 163 LEU 164 GLU 165 VAL 166 LYS 167 ARG 168 ILE 169 ILE 170 ASN 171 GLU 172 PRO 173 THR 174 ALA 175 ALA 176 ALA 177 LEU 178 ALA 179 TYR 180 GLY 181 LEU 182 ASP 183 LYS 184 GLY 185 THR 186 GLY 187 ASN 188 ARG 189 THR 190 ILE 191 ALA 192 VAL 193 TYR 194 ASP 195 LEU 196 GLY 197 GLY 198 GLY 199 ALA 200 PHE 201 ASP 202 ILE 203 SER 204 ILE 205 ILE 206 GLU 207 ILE 208 ASP 209 GLU 210 VAL 211 ASP 212 GLY 213 GLU 214 LYS 215 THR 216 PHE 217 GLU 218 VAL 219 LEU 220 ALA 221 THR 222 ASN 223 GLY 224 ASP 225 THR 226 HIS 227 LEU 228 GLY 229 GLY 230 GLU 231 ASP 232 PHE 233 ASP 234 SER 235 ARG 236 LEU 237 ILE 238 ASN 239 TYR 240 LEU 241 VAL 242 GLU 243 GLU 244 PHE 245 LYS 246 LYS 247 ASP 248 GLN 249 GLY 250 ILE 251 ASP 252 LEU 253 ARG 254 ASN 255 ASP 256 PRO 257 LEU 258 ALA 259 MET 260 GLN 261 ARG 262 LEU 263 LYS 264 GLU 265 ALA 266 ALA 267 GLU 268 LYS 269 ALA 270 LYS 271 ILE 272 GLU 273 LEU 274 SER 275 SER 276 ALA 277 GLN 278 GLN 279 THR 280 ASP 281 VAL 282 ASN 283 LEU 284 PRO 285 TYR 286 ILE 287 THR 288 ALA 289 ASP 290 ALA 291 THR 292 GLY 293 PRO 294 LYS 295 HIS 296 MET 297 ASN 298 ILE 299 LYS 300 VAL 301 THR 302 ARG 303 ALA 304 LYS 305 LEU 306 GLU 307 SER 308 LEU 309 VAL 310 GLU 311 ASP 312 LEU 313 VAL 314 ASN 315 ARG 316 SER 317 ILE 318 GLU 319 LEU 320 LEU 321 LYS 322 VAL 323 ALA 324 LEU 325 GLN 326 ASP 327 ALA 328 GLY 329 LEU 330 SER 331 VAL 332 SER 333 ASP 334 ILE 335 ASP 336 ASP 337 VAL 338 ILE 339 LEU 340 VAL 341 GLY 342 GLY 343 GLN 344 THR 345 ARG 346 MET 347 PRO 348 MET 349 VAL 350 GLN 351 LYS 352 LYS 353 VAL 354 ALA 355 GLU 356 PHE 357 PHE 358 GLY 359 LYS 360 GLU 361 PRO 362 ARG 363 LYS 364 ASP 365 VAL 366 ASN 367 PRO 368 ASP 369 GLU 370 ALA 371 VAL 372 ALA 373 ILE 374 GLY 375 ALA 376 ALA 377 VAL 378 GLN 379 GLY 380 GLY 381 VAL 382 LEU 383 THR 384 GLY 385 ASP 386 VAL 387 LYS 388 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17208 the_nucleotide-binding_domain_of_DnaK 100.00 388 100.00 100.00 0.00e+00 BMRB 17210 the_nucleotide-binding_domain_of_DnaK 100.00 392 99.74 99.74 0.00e+00 PDB 1DKG "Crystal Structure Of The Nucleotide Exchange Factor Grpe Bound To The Atpase Domain Of The Molecular Chaperone Dnak" 98.71 383 99.74 99.74 0.00e+00 PDB 2KHO "Nmr-Rdc XRAY STRUCTURE OF E. COLI HSP70 (DNAK) CHAPERONE (1-605) Complexed With Adp And Substrate" 100.00 605 99.48 99.48 0.00e+00 PDB 4B9Q "Open Conformation Of Atp-Bound Hsp70 Homolog Dnak" 99.74 605 97.42 97.42 0.00e+00 PDB 4JN4 "Allosteric Opening Of The Polypeptide-binding Site When An Hsp70 Binds Atp" 99.74 608 99.74 99.74 0.00e+00 PDB 4JNE "Allosteric Opening Of The Polypeptide-binding Site When An Hsp70 Binds Atp" 99.74 608 99.74 99.74 0.00e+00 DBJ BAA01595 "DnaK protein homolog [Escherichia coli]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAB33437 "heat shock protein DnaK [Escherichia coli O157:H7 str. Sakai]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAB96589 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli str. K12 substr. W3110]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAG75537 "chaperone protein DnaK [Escherichia coli SE11]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAI23377 "chaperone Hsp70 [Escherichia coli O26:H11 str. 11368]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAP74584 "chaperone protein dnaK [Escherichia coli LF82]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAQ30531 "chaperone Hsp70; DNA biosynthesis; autoregulated heat shock proteins, subunit of DnaJ/DnaK/GrpE [Escherichia coli BL21(DE3)]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAQ87598 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia fergusonii ATCC 35469]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAQ96905 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli IAI1]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAR01381 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli S88]" 100.00 638 99.48 99.48 0.00e+00 GB AAA23694 "heat shock protein 70 precursor [Escherichia coli]" 100.00 638 99.48 99.48 0.00e+00 GB AAC73125 "chaperone Hsp70, with co-chaperone DnaJ [Escherichia coli str. K-12 substr. MG1655]" 100.00 638 99.48 99.48 0.00e+00 GB AAG54314 "chaperone Hsp70; DNA biosynthesis; autoregulated heat shock proteins [Escherichia coli O157:H7 str. EDL933]" 100.00 638 99.48 99.48 0.00e+00 GB AAN41680 "chaperone Hsp70; autoregulated heat shock protein [Shigella flexneri 2a str. 301]" 100.00 638 99.23 99.23 0.00e+00 GB AAN78519 "Chaperone protein dnaK [Escherichia coli CFT073]" 100.00 638 99.48 99.48 0.00e+00 REF NP_308041 "molecular chaperone DnaK [Escherichia coli O157:H7 str. Sakai]" 100.00 638 99.48 99.48 0.00e+00 REF NP_414555 "chaperone Hsp70, with co-chaperone DnaJ [Escherichia coli str. K-12 substr. MG1655]" 100.00 638 99.48 99.48 0.00e+00 REF NP_705973 "molecular chaperone DnaK [Shigella flexneri 2a str. 301]" 100.00 638 99.23 99.23 0.00e+00 REF WP_000407451 "chaperone protein DnaK, partial [Escherichia coli]" 92.53 609 99.16 99.16 0.00e+00 REF WP_000516120 "molecular chaperone DnaK [Shigella flexneri]" 100.00 638 99.23 99.23 0.00e+00 SP A1A766 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 99.48 99.48 0.00e+00 SP A7MIK5 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 97.42 98.71 0.00e+00 SP A7ZHA4 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 99.48 99.48 0.00e+00 SP A7ZVV7 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 99.48 99.48 0.00e+00 SP A8ALU3 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 97.16 98.45 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $the_nucleotide-binding_domain_of_DnaK 'E. coli' 562 bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $the_nucleotide-binding_domain_of_DnaK 'recombinant technology' . Escherichia coli BL21(DE3) pMS119-EH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DnaK388 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 10 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' 'AEBSF protease inhibitor' 1 uM 'natural abundance' DTT 5 mM 'natural abundance' DSS 0.5 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' $the_nucleotide-binding_domain_of_DnaK 0.5 mM '[U-97% 2H; U-95% 13C; U-95% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller, Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $DnaK388 save_ save_3D_TROSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $DnaK388 save_ save_3D_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $DnaK388 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 7.0 0.1 pH pressure 1 . atm temperature 299 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Chemical shifts for CA and N atoms were corrected for H2-isotope effects' loop_ _Software_label $NMRPipe $NMRDraw $CARA $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCO' '3D TROSY-HNCA' stop_ loop_ _Sample_label $DnaK388 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NBD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY C C 170.39 0.3 1 2 2 2 GLY CA C 43.523 0.3 1 3 3 3 LYS H H 9.009 0.03 1 4 3 3 LYS C C 175.474 0.3 1 5 3 3 LYS CA C 55.659 0.3 1 6 3 3 LYS N N 122.386 0.3 1 7 4 4 ILE H H 8.06 0.03 1 8 4 4 ILE C C 176.333 0.3 1 9 4 4 ILE CA C 61.171 0.3 1 10 4 4 ILE N N 122.792 0.3 1 11 5 5 ILE H H 7.553 0.03 1 12 5 5 ILE C C 173.839 0.3 1 13 5 5 ILE CA C 60.796 0.3 1 14 5 5 ILE N N 120.381 0.3 1 15 6 6 GLY H H 9.046 0.03 1 16 6 6 GLY C C 171.53 0.3 1 17 6 6 GLY CA C 44.589 0.3 1 18 6 6 GLY N N 109.874 0.3 1 19 7 7 ILE H H 8.525 0.03 1 20 7 7 ILE C C 173.885 0.3 1 21 7 7 ILE CA C 60.469 0.3 1 22 7 7 ILE N N 123.554 0.3 1 23 8 8 ASP H H 8.127 0.03 1 24 8 8 ASP C C 175.876 0.3 1 25 8 8 ASP CA C 51.737 0.3 1 26 8 8 ASP N N 124.419 0.3 1 27 9 9 LEU H H 6.595 0.03 1 28 9 9 LEU CA C 52.07 0.3 1 29 9 9 LEU N N 129.16 0.3 1 30 14 14 SER C C 172.02 0.3 1 31 14 14 SER CA C 58.353 0.3 1 32 15 15 CYS H H 8.509 0.03 1 33 15 15 CYS C C 170.63 0.3 1 34 15 15 CYS CA C 58.545 0.3 1 35 15 15 CYS N N 124.145 0.3 1 36 16 16 VAL H H 9.07 0.03 1 37 16 16 VAL C C 170.424 0.3 1 38 16 16 VAL CA C 58.534 0.3 1 39 16 16 VAL N N 127.573 0.3 1 40 17 17 ALA H H 8.991 0.03 1 41 17 17 ALA C C 175.228 0.3 1 42 17 17 ALA CA C 49.78 0.3 1 43 17 17 ALA N N 128.402 0.3 1 44 18 18 ILE H H 8.474 0.03 1 45 18 18 ILE C C 174.519 0.3 1 46 18 18 ILE CA C 58.97 0.3 1 47 18 18 ILE N N 113.504 0.3 1 48 19 19 MET H H 8.425 0.03 1 49 19 19 MET C C 174.716 0.3 1 50 19 19 MET CA C 54.139 0.3 1 51 19 19 MET N N 121.368 0.3 1 52 20 20 ASP H H 8.361 0.03 1 53 20 20 ASP C C 175.979 0.3 1 54 20 20 ASP CA C 52.227 0.3 1 55 20 20 ASP N N 128.511 0.3 1 56 21 21 GLY H H 8.233 0.03 1 57 21 21 GLY C C 174.869 0.3 1 58 21 21 GLY CA C 46.789 0.3 1 59 21 21 GLY N N 114.442 0.3 1 60 22 22 THR H H 8.484 0.03 1 61 22 22 THR C C 174.382 0.3 1 62 22 22 THR CA C 61.93 0.3 1 63 22 22 THR N N 117.882 0.3 1 64 23 23 THR H H 7.659 0.03 1 65 23 23 THR CA C 59.368 0.3 1 66 23 23 THR N N 119.351 0.3 1 67 24 24 PRO C C 176.208 0.3 1 68 24 24 PRO CA C 62.409 0.3 1 69 25 25 ARG H H 9.153 0.03 1 70 25 25 ARG C C 174.599 0.3 1 71 25 25 ARG CA C 55.26 0.3 1 72 25 25 ARG N N 124.895 0.3 1 73 26 26 VAL H H 8.334 0.03 1 74 26 26 VAL C C 175.623 0.3 1 75 26 26 VAL CA C 62.833 0.3 1 76 26 26 VAL N N 128.31 0.3 1 77 27 27 LEU H H 7.928 0.03 1 78 27 27 LEU C C 175.828 0.3 1 79 27 27 LEU CA C 53.795 0.3 1 80 27 27 LEU N N 126.017 0.3 1 81 28 28 GLU H H 8.094 0.03 1 82 28 28 GLU C C 176.289 0.3 1 83 28 28 GLU CA C 55.946 0.3 1 84 28 28 GLU N N 120.445 0.3 1 85 29 29 ASN H H 8.058 0.03 1 86 29 29 ASN C C 177.499 0.3 1 87 29 29 ASN CA C 51.45 0.3 1 88 29 29 ASN N N 118.671 0.3 1 89 30 30 ALA H H 8.404 0.03 1 90 30 30 ALA C C 178.531 0.3 1 91 30 30 ALA CA C 54.921 0.3 1 92 30 30 ALA N N 121.702 0.3 1 93 31 31 GLU H H 7.645 0.03 1 94 31 31 GLU C C 176.269 0.3 1 95 31 31 GLU CA C 58.364 0.3 1 96 31 31 GLU N N 116.574 0.3 1 97 32 32 GLY H H 8.142 0.03 1 98 32 32 GLY C C 173.521 0.3 1 99 32 32 GLY CA C 44.99 0.3 1 100 32 32 GLY N N 108.5 0.3 1 101 33 33 ASP H H 7.814 0.03 1 102 33 33 ASP C C 177.393 0.3 1 103 33 33 ASP CA C 53.534 0.3 1 104 33 33 ASP N N 119.831 0.3 1 105 34 34 ARG H H 9.096 0.03 1 106 34 34 ARG C C 175.28 0.3 1 107 34 34 ARG CA C 58.059 0.3 1 108 34 34 ARG N N 123.705 0.3 1 109 35 35 THR H H 7.413 0.03 1 110 35 35 THR C C 173.316 0.3 1 111 35 35 THR CA C 60.295 0.3 1 112 35 35 THR N N 109.111 0.3 1 113 36 36 THR H H 9.173 0.03 1 114 36 36 THR CA C 60.03 0.3 1 115 36 36 THR N N 117.863 0.3 1 116 37 37 PRO C C 178.041 0.3 1 117 37 37 PRO CA C 63.541 0.3 1 118 38 38 SER H H 9.22 0.03 1 119 38 38 SER C C 174.928 0.3 1 120 38 38 SER CA C 55.45 0.3 1 121 38 38 SER N N 125.076 0.3 1 122 39 39 ILE H H 8.399 0.03 1 123 39 39 ILE C C 173.171 0.3 1 124 39 39 ILE CA C 60.682 0.3 1 125 39 39 ILE N N 127.715 0.3 1 126 40 40 ILE H H 8.607 0.03 1 127 40 40 ILE C C 173.549 0.3 1 128 40 40 ILE CA C 61.312 0.3 1 129 40 40 ILE N N 128.949 0.3 1 130 41 41 ALA H H 9.367 0.03 1 131 41 41 ALA C C 174.466 0.3 1 132 41 41 ALA CA C 49.967 0.3 1 133 41 41 ALA N N 127.552 0.3 1 134 42 42 TYR H H 7.833 0.03 1 135 42 42 TYR C C 177.295 0.3 1 136 42 42 TYR CA C 56.882 0.3 1 137 42 42 TYR N N 121.465 0.3 1 138 43 43 THR H H 8.634 0.03 1 139 43 43 THR CA C 61.26 0.3 1 140 43 43 THR N N 114.984 0.3 1 141 44 44 GLN C C 176.639 0.3 1 142 44 44 GLN CA C 58.548 0.3 1 143 45 45 ASP H H 7.871 0.03 1 144 45 45 ASP C C 176.209 0.3 1 145 45 45 ASP CA C 54.109 0.3 1 146 45 45 ASP N N 116.515 0.3 1 147 46 46 GLY H H 7.664 0.03 1 148 46 46 GLY C C 174.787 0.3 1 149 46 46 GLY CA C 45.889 0.3 1 150 46 46 GLY N N 107.509 0.3 1 151 47 47 GLU H H 7.557 0.03 1 152 47 47 GLU C C 175.986 0.3 1 153 47 47 GLU CA C 55.755 0.3 1 154 47 47 GLU N N 121.003 0.3 1 155 48 48 THR H H 8.549 0.03 1 156 48 48 THR C C 174.043 0.3 1 157 48 48 THR CA C 61.5 0.3 1 158 48 48 THR N N 120.659 0.3 1 159 49 49 LEU H H 9.141 0.03 1 160 49 49 LEU C C 175.718 0.3 1 161 49 49 LEU CA C 52.748 0.3 1 162 49 49 LEU N N 127.427 0.3 1 163 50 50 VAL H H 8.54 0.03 1 164 50 50 VAL C C 175.879 0.3 1 165 50 50 VAL CA C 60.715 0.3 1 166 50 50 VAL N N 120.77 0.3 1 167 51 51 GLY H H 8.665 0.03 1 168 51 51 GLY C C 175.876 0.3 1 169 51 51 GLY CA C 45.049 0.3 1 170 51 51 GLY N N 114.141 0.3 1 171 52 52 GLN H H 10.523 0.03 1 172 52 52 GLN CA C 60.465 0.3 1 173 52 52 GLN N N 129.34 0.3 1 174 53 53 PRO C C 179.005 0.3 1 175 53 53 PRO CA C 65.817 0.3 1 176 54 54 ALA H H 6.437 0.03 1 177 54 54 ALA C C 179.447 0.3 1 178 54 54 ALA CA C 53.773 0.3 1 179 54 54 ALA N N 116.763 0.3 1 180 55 55 LYS H H 8.152 0.03 1 181 55 55 LYS C C 179.052 0.3 1 182 55 55 LYS CA C 60.444 0.3 1 183 55 55 LYS N N 122.408 0.3 1 184 56 56 ARG H H 8.02 0.03 1 185 56 56 ARG C C 177.045 0.3 1 186 56 56 ARG CA C 58.801 0.3 1 187 56 56 ARG N N 115.403 0.3 1 188 57 57 GLN H H 7.053 0.03 1 189 57 57 GLN C C 175.212 0.3 1 190 57 57 GLN CA C 54.057 0.3 1 191 57 57 GLN N N 111.908 0.3 1 192 58 58 ALA H H 7.19 0.03 1 193 58 58 ALA CA C 55.69 0.3 1 194 58 58 ALA N N 124.105 0.3 1 195 59 59 VAL C C 177.282 0.3 1 196 59 59 VAL CA C 65.088 0.3 1 197 60 60 THR H H 7.063 0.03 1 198 60 60 THR C C 174.422 0.3 1 199 60 60 THR CA C 62.103 0.3 1 200 60 60 THR N N 108.778 0.3 1 201 61 61 ASN H H 7.485 0.03 1 202 61 61 ASN CA C 51.398 0.3 1 203 61 61 ASN N N 120.196 0.3 1 204 62 62 PRO C C 179.184 0.3 1 205 62 62 PRO CA C 65.709 0.3 1 206 63 63 GLN H H 8.613 0.03 1 207 63 63 GLN C C 175.955 0.3 1 208 63 63 GLN CA C 58.657 0.3 1 209 63 63 GLN N N 115.408 0.3 1 210 64 64 ASN H H 6.566 0.03 1 211 64 64 ASN C C 173.501 0.3 1 212 64 64 ASN CA C 52.249 0.3 1 213 64 64 ASN N N 112.584 0.3 1 214 65 65 THR H H 6.905 0.03 1 215 65 65 THR C C 172.305 0.3 1 216 65 65 THR CA C 63.691 0.3 1 217 65 65 THR N N 117.052 0.3 1 218 66 66 LEU H H 9.666 0.03 1 219 66 66 LEU C C 174.09 0.3 1 220 66 66 LEU CA C 54.069 0.3 1 221 66 66 LEU N N 128.127 0.3 1 222 67 67 PHE H H 6.337 0.03 1 223 67 67 PHE C C 171.42 0.3 1 224 67 67 PHE CA C 54.937 0.3 1 225 67 67 PHE N N 115.489 0.3 1 226 68 68 ALA H H 9.165 0.03 1 227 68 68 ALA C C 177.379 0.3 1 228 68 68 ALA CA C 54.079 0.3 1 229 68 68 ALA N N 115.206 0.3 1 230 69 69 ILE H H 7.774 0.03 1 231 69 69 ILE CA C 60.682 0.3 1 232 69 69 ILE N N 118.527 0.3 1 233 70 70 LYS C C 177.14 0.3 1 234 71 71 ARG H H 7.691 0.03 1 235 71 71 ARG C C 175.844 0.3 1 236 71 71 ARG CA C 58.582 0.3 1 237 71 71 ARG N N 114.855 0.3 1 238 72 72 LEU H H 7.752 0.03 1 239 72 72 LEU C C 177.222 0.3 1 240 72 72 LEU CA C 54.781 0.3 1 241 72 72 LEU N N 114.796 0.3 1 242 73 73 ILE H H 7.029 0.03 1 243 73 73 ILE C C 175.528 0.3 1 244 73 73 ILE CA C 63.119 0.3 1 245 73 73 ILE N N 119.361 0.3 1 246 74 74 GLY H H 9.937 0.03 1 247 74 74 GLY C C 173.677 0.3 1 248 74 74 GLY CA C 46.189 0.3 1 249 74 74 GLY N N 115.223 0.3 1 250 75 75 ARG H H 7.99 0.03 1 251 75 75 ARG C C 176.935 0.3 1 252 75 75 ARG CA C 55.57 0.3 1 253 75 75 ARG N N 118.096 0.3 1 254 76 76 ARG H H 8.698 0.03 1 255 76 76 ARG C C 176.666 0.3 1 256 76 76 ARG CA C 54.967 0.3 1 257 76 76 ARG N N 121.281 0.3 1 258 77 77 PHE H H 8.733 0.03 1 259 77 77 PHE C C 175.486 0.3 1 260 77 77 PHE CA C 61.663 0.3 1 261 77 77 PHE N N 122.992 0.3 1 262 78 78 GLN H H 8.2 0.03 1 263 78 78 GLN C C 175.468 0.3 1 264 78 78 GLN CA C 56.001 0.3 1 265 78 78 GLN N N 111.851 0.3 1 266 79 79 ASP H H 7.277 0.03 1 267 79 79 ASP C C 177.473 0.3 1 268 79 79 ASP CA C 55.174 0.3 1 269 79 79 ASP N N 123.606 0.3 1 270 80 80 GLU H H 9.07 0.03 1 271 80 80 GLU C C 179.079 0.3 1 272 80 80 GLU CA C 60.403 0.3 1 273 80 80 GLU N N 127.479 0.3 1 274 81 81 GLU H H 9.146 0.03 1 275 81 81 GLU C C 178.847 0.3 1 276 81 81 GLU CA C 59.835 0.3 1 277 81 81 GLU N N 118.812 0.3 1 278 82 82 VAL H H 6.876 0.03 1 279 82 82 VAL C C 178.278 0.3 1 280 82 82 VAL CA C 65.845 0.3 1 281 82 82 VAL N N 120.258 0.3 1 282 83 83 GLN H H 8.133 0.03 1 283 83 83 GLN C C 178.752 0.3 1 284 83 83 GLN CA C 58.219 0.3 1 285 83 83 GLN N N 116.736 0.3 1 286 84 84 ARG H H 7.52 0.03 1 287 84 84 ARG C C 178.341 0.3 1 288 84 84 ARG CA C 59.404 0.3 1 289 84 84 ARG N N 119.695 0.3 1 290 85 85 ASP H H 7.339 0.03 1 291 85 85 ASP C C 178.768 0.3 1 292 85 85 ASP CA C 57.011 0.3 1 293 85 85 ASP N N 121.709 0.3 1 294 86 86 VAL H H 8.353 0.03 1 295 86 86 VAL C C 178.167 0.3 1 296 86 86 VAL CA C 66.39 0.3 1 297 86 86 VAL N N 122.115 0.3 1 298 87 87 SER H H 7.249 0.03 1 299 87 87 SER C C 174.659 0.3 1 300 87 87 SER CA C 60.434 0.3 1 301 87 87 SER N N 110.824 0.3 1 302 88 88 ILE H H 7.279 0.03 1 303 88 88 ILE C C 176.828 0.3 1 304 88 88 ILE CA C 61.777 0.3 1 305 88 88 ILE N N 116.221 0.3 1 306 89 89 MET H H 7.793 0.03 1 307 89 89 MET CA C 53.045 0.3 1 308 89 89 MET N N 122.188 0.3 1 309 90 90 PRO C C 176.302 0.3 1 310 90 90 PRO CA C 63.436 0.3 1 311 91 91 PHE H H 5.956 0.03 1 312 91 91 PHE C C 173.411 0.3 1 313 91 91 PHE CA C 53.26 0.3 1 314 91 91 PHE N N 115.235 0.3 1 315 92 92 LYS H H 8.985 0.03 1 316 92 92 LYS C C 174.643 0.3 1 317 92 92 LYS CA C 57.158 0.3 1 318 92 92 LYS N N 122.169 0.3 1 319 93 93 ILE H H 7.833 0.03 1 320 93 93 ILE C C 175.655 0.3 1 321 93 93 ILE CA C 61.613 0.3 1 322 93 93 ILE N N 129.208 0.3 1 323 94 94 ILE H H 8.657 0.03 1 324 94 94 ILE C C 173.561 0.3 1 325 94 94 ILE CA C 59.422 0.3 1 326 94 94 ILE N N 121.114 0.3 1 327 95 95 ALA H H 7.475 0.03 1 328 95 95 ALA C C 177.93 0.3 1 329 95 95 ALA CA C 50.86 0.3 1 330 95 95 ALA N N 123.16 0.3 1 331 96 96 ALA H H 8.615 0.03 1 332 96 96 ALA CA C 50.979 0.3 1 333 96 96 ALA N N 126.205 0.3 1 334 97 97 ASP C C 176.631 0.3 1 335 98 98 ASN H H 7.305 0.03 1 336 98 98 ASN C C 177.089 0.3 1 337 98 98 ASN CA C 52.349 0.3 1 338 98 98 ASN N N 114.435 0.3 1 339 99 99 GLY H H 7.811 0.03 1 340 99 99 GLY C C 175.074 0.3 1 341 99 99 GLY CA C 44.789 0.3 1 342 99 99 GLY N N 108.415 0.3 1 343 100 100 ASP H H 7.981 0.03 1 344 100 100 ASP C C 174.299 0.3 1 345 100 100 ASP CA C 55.937 0.3 1 346 100 100 ASP N N 124.498 0.3 1 347 101 101 ALA H H 8.39 0.03 1 348 101 101 ALA C C 174.709 0.3 1 349 101 101 ALA CA C 52.779 0.3 1 350 101 101 ALA N N 121.948 0.3 1 351 102 102 TRP H H 9.587 0.03 1 352 102 102 TRP C C 174.599 0.3 1 353 102 102 TRP CA C 55.25 0.3 1 354 102 102 TRP N N 130.019 0.3 1 355 103 103 VAL H H 8.827 0.03 1 356 103 103 VAL C C 174.375 0.3 1 357 103 103 VAL CA C 60.341 0.3 1 358 103 103 VAL N N 115.067 0.3 1 359 104 104 GLU H H 8.485 0.03 1 360 104 104 GLU C C 174.829 0.3 1 361 104 104 GLU CA C 55.125 0.3 1 362 104 104 GLU N N 125.639 0.3 1 363 105 105 VAL H H 8.63 0.03 1 364 105 105 VAL C C 175.528 0.3 1 365 105 105 VAL CA C 61.414 0.3 1 366 105 105 VAL N N 126.474 0.3 1 367 106 106 LYS H H 9.295 0.03 1 368 106 106 LYS C C 176.596 0.3 1 369 106 106 LYS CA C 57.259 0.3 1 370 106 106 LYS N N 128.018 0.3 1 371 107 107 GLY H H 8.608 0.03 1 372 107 107 GLY C C 173.489 0.3 1 373 107 107 GLY CA C 45.289 0.3 1 374 107 107 GLY N N 104.849 0.3 1 375 108 108 GLN H H 8.053 0.03 1 376 108 108 GLN C C 174.429 0.3 1 377 108 108 GLN CA C 54.227 0.3 1 378 108 108 GLN N N 121.77 0.3 1 379 109 109 LYS H H 8.599 0.03 1 380 109 109 LYS C C 176.065 0.3 1 381 109 109 LYS CA C 56.693 0.3 1 382 109 109 LYS N N 125.06 0.3 1 383 110 110 MET H H 9.379 0.03 1 384 110 110 MET C C 172.453 0.3 1 385 110 110 MET CA C 54.851 0.3 1 386 110 110 MET N N 123.85 0.3 1 387 111 111 ALA H H 7.552 0.03 1 388 111 111 ALA CA C 48.762 0.3 1 389 111 111 ALA N N 126.138 0.3 1 390 113 113 PRO C C 177.741 0.3 1 391 113 113 PRO CA C 66.743 0.3 1 392 114 114 GLN H H 7.326 0.03 1 393 114 114 GLN C C 176.889 0.3 1 394 114 114 GLN CA C 59.15 0.3 1 395 114 114 GLN N N 113.805 0.3 1 396 115 115 ILE H H 7.246 0.03 1 397 115 115 ILE CA C 63.317 0.3 1 398 115 115 ILE N N 119.496 0.3 1 399 116 116 SER C C 176.535 0.3 1 400 117 117 ALA H H 8.135 0.03 1 401 117 117 ALA C C 179.316 0.3 1 402 117 117 ALA CA C 55.442 0.3 1 403 117 117 ALA N N 122.415 0.3 1 404 118 118 GLU H H 7.562 0.03 1 405 118 118 GLU C C 180.458 0.3 1 406 118 118 GLU CA C 58.818 0.3 1 407 118 118 GLU N N 115.759 0.3 1 408 119 119 VAL H H 6.927 0.03 1 409 119 119 VAL C C 178.683 0.3 1 410 119 119 VAL CA C 66.137 0.3 1 411 119 119 VAL N N 119.547 0.3 1 412 120 120 LEU H H 7.518 0.03 1 413 120 120 LEU C C 178.546 0.3 1 414 120 120 LEU CA C 58.299 0.3 1 415 120 120 LEU N N 119.008 0.3 1 416 121 121 LYS H H 8.89 0.03 1 417 121 121 LYS C C 179.036 0.3 1 418 121 121 LYS CA C 60.718 0.3 1 419 121 121 LYS N N 120.553 0.3 1 420 122 122 LYS H H 7.141 0.03 1 421 122 122 LYS C C 179.621 0.3 1 422 122 122 LYS CA C 58.869 0.3 1 423 122 122 LYS N N 121.254 0.3 1 424 123 123 MET H H 8.119 0.03 1 425 123 123 MET C C 177.108 0.3 1 426 123 123 MET CA C 57.919 0.3 1 427 123 123 MET N N 122.155 0.3 1 428 124 124 LYS H H 8.372 0.03 1 429 124 124 LYS C C 177.301 0.3 1 430 124 124 LYS CA C 60.035 0.3 1 431 124 124 LYS N N 121.257 0.3 1 432 125 125 LYS H H 8.112 0.03 1 433 125 125 LYS C C 177.741 0.3 1 434 125 125 LYS CA C 58.759 0.3 1 435 125 125 LYS N N 120.091 0.3 1 436 126 126 THR H H 7.974 0.03 1 437 126 126 THR C C 176.679 0.3 1 438 126 126 THR CA C 67.141 0.3 1 439 126 126 THR N N 116.409 0.3 1 440 127 127 ALA H H 7.54 0.03 1 441 127 127 ALA C C 178.489 0.3 1 442 127 127 ALA CA C 55.379 0.3 1 443 127 127 ALA N N 122.962 0.3 1 444 128 128 GLU H H 8.616 0.03 1 445 128 128 GLU C C 180.769 0.3 1 446 128 128 GLU CA C 59.903 0.3 1 447 128 128 GLU N N 120.847 0.3 1 448 129 129 ASP H H 9.01 0.03 1 449 129 129 ASP C C 178.019 0.3 1 450 129 129 ASP CA C 57.049 0.3 1 451 129 129 ASP N N 122.08 0.3 1 452 130 130 TYR H H 7.292 0.03 1 453 130 130 TYR C C 177.559 0.3 1 454 130 130 TYR CA C 61.162 0.3 1 455 130 130 TYR N N 120.282 0.3 1 456 131 131 LEU H H 8.652 0.03 1 457 131 131 LEU C C 178.839 0.3 1 458 131 131 LEU CA C 56.22 0.3 1 459 131 131 LEU N N 117.832 0.3 1 460 132 132 GLY H H 8.52 0.03 1 461 132 132 GLY C C 173.316 0.3 1 462 132 132 GLY CA C 45.89 0.3 1 463 132 132 GLY N N 107.921 0.3 1 464 133 133 GLU H H 7.263 0.03 1 465 133 133 GLU CA C 53.335 0.3 1 466 133 133 GLU N N 116.668 0.3 1 467 134 134 PRO C C 176.893 0.3 1 468 134 134 PRO CA C 62.74 0.3 1 469 135 135 VAL H H 9.898 0.03 1 470 135 135 VAL C C 175.271 0.3 1 471 135 135 VAL CA C 62.285 0.3 1 472 135 135 VAL N N 125.799 0.3 1 473 136 136 THR H H 9.077 0.03 1 474 136 136 THR C C 174.419 0.3 1 475 136 136 THR CA C 61.255 0.3 1 476 136 136 THR N N 114.126 0.3 1 477 137 137 GLU H H 7.801 0.03 1 478 137 137 GLU C C 174.501 0.3 1 479 137 137 GLU CA C 55.889 0.3 1 480 137 137 GLU N N 123.258 0.3 1 481 138 138 ALA H H 8.206 0.03 1 482 138 138 ALA C C 176.113 0.3 1 483 138 138 ALA CA C 50.953 0.3 1 484 138 138 ALA N N 119.348 0.3 1 485 139 139 VAL H H 8.811 0.03 1 486 139 139 VAL C C 174.596 0.3 1 487 139 139 VAL CA C 62.153 0.3 1 488 139 139 VAL N N 122.364 0.3 1 489 140 140 ILE H H 7.349 0.03 1 490 140 140 ILE C C 174.264 0.3 1 491 140 140 ILE CA C 59.608 0.3 1 492 140 140 ILE N N 124.717 0.3 1 493 141 141 THR H H 7.784 0.03 1 494 141 141 THR C C 174.264 0.3 1 495 141 141 THR CA C 59.775 0.3 1 496 141 141 THR N N 116.767 0.3 1 497 142 142 VAL H H 7.839 0.03 1 498 142 142 VAL CA C 58.013 0.3 1 499 142 142 VAL N N 108.874 0.3 1 500 143 143 PRO C C 177.049 0.3 1 501 143 143 PRO CA C 62.522 0.3 1 502 144 144 ALA H H 10.146 0.03 1 503 144 144 ALA C C 177.314 0.3 1 504 144 144 ALA CA C 54.415 0.3 1 505 144 144 ALA N N 125.166 0.3 1 506 145 145 TYR H H 6.175 0.03 1 507 145 145 TYR C C 176.542 0.3 1 508 145 145 TYR CA C 55.341 0.3 1 509 145 145 TYR N N 107.106 0.3 1 510 146 146 PHE H H 7.273 0.03 1 511 146 146 PHE C C 177.598 0.3 1 512 146 146 PHE CA C 56.409 0.3 1 513 146 146 PHE N N 125.195 0.3 1 514 147 147 ASN H H 9.219 0.03 1 515 147 147 ASN C C 176.318 0.3 1 516 147 147 ASN CA C 51.124 0.3 1 517 147 147 ASN N N 125.126 0.3 1 518 148 148 ASP H H 8.401 0.03 1 519 148 148 ASP C C 178.167 0.3 1 520 148 148 ASP CA C 58.55 0.3 1 521 148 148 ASP N N 117.989 0.3 1 522 149 149 ALA H H 8.134 0.03 1 523 149 149 ALA C C 181.889 0.3 1 524 149 149 ALA CA C 55.745 0.3 1 525 149 149 ALA N N 125.023 0.3 1 526 150 150 GLN H H 8.667 0.03 1 527 150 150 GLN C C 179.514 0.3 1 528 150 150 GLN CA C 59.653 0.3 1 529 150 150 GLN N N 120.369 0.3 1 530 151 151 ARG H H 8.537 0.03 1 531 151 151 ARG C C 178.117 0.3 1 532 151 151 ARG CA C 61.238 0.3 1 533 151 151 ARG N N 122.117 0.3 1 534 152 152 GLN H H 8.822 0.03 1 535 152 152 GLN C C 178.072 0.3 1 536 152 152 GLN CA C 58.789 0.3 1 537 152 152 GLN N N 120.814 0.3 1 538 153 153 ALA H H 8.123 0.03 1 539 153 153 ALA CA C 54.969 0.3 1 540 153 153 ALA N N 121.318 0.3 1 541 154 154 THR C C 175.736 0.3 1 542 155 155 LYS H H 8.064 0.03 1 543 155 155 LYS C C 179.467 0.3 1 544 155 155 LYS CA C 61.172 0.3 1 545 155 155 LYS N N 123.648 0.3 1 546 156 156 ASP H H 8.737 0.03 1 547 156 156 ASP C C 177.885 0.3 1 548 156 156 ASP CA C 57.65 0.3 1 549 156 156 ASP N N 121.774 0.3 1 550 157 157 ALA H H 7.71 0.03 1 551 157 157 ALA C C 179.174 0.3 1 552 157 157 ALA CA C 55.079 0.3 1 553 157 157 ALA N N 122.506 0.3 1 554 158 158 GLY H H 7.575 0.03 1 555 158 158 GLY C C 174.069 0.3 1 556 158 158 GLY CA C 47.776 0.3 1 557 158 158 GLY N N 104.102 0.3 1 558 159 159 ARG H H 8.117 0.03 1 559 159 159 ARG C C 181.558 0.3 1 560 159 159 ARG CA C 59.633 0.3 1 561 159 159 ARG N N 124.532 0.3 1 562 160 160 ILE H H 8.465 0.03 1 563 160 160 ILE C C 177.365 0.3 1 564 160 160 ILE CA C 65.411 0.3 1 565 160 160 ILE N N 124.19 0.3 1 566 161 161 ALA H H 7.426 0.03 1 567 161 161 ALA C C 175.665 0.3 1 568 161 161 ALA CA C 52.479 0.3 1 569 161 161 ALA N N 120.78 0.3 1 570 162 162 GLY H H 7.822 0.03 1 571 162 162 GLY C C 174.249 0.3 1 572 162 162 GLY CA C 45.289 0.3 1 573 162 162 GLY N N 106.582 0.3 1 574 163 163 LEU H H 8.159 0.03 1 575 163 163 LEU C C 175.433 0.3 1 576 163 163 LEU CA C 52.632 0.3 1 577 163 163 LEU N N 120.035 0.3 1 578 164 164 GLU H H 8.863 0.03 1 579 164 164 GLU C C 175.718 0.3 1 580 164 164 GLU CA C 55.603 0.3 1 581 164 164 GLU N N 124.353 0.3 1 582 165 165 VAL H H 8.407 0.03 1 583 165 165 VAL C C 175.703 0.3 1 584 165 165 VAL CA C 62.341 0.3 1 585 165 165 VAL N N 129.349 0.3 1 586 166 166 LYS H H 8.878 0.03 1 587 166 166 LYS C C 177.269 0.3 1 588 166 166 LYS CA C 56.859 0.3 1 589 166 166 LYS N N 130.349 0.3 1 590 167 167 ARG H H 7.104 0.03 1 591 167 167 ARG C C 173.458 0.3 1 592 167 167 ARG CA C 55.46 0.3 1 593 167 167 ARG N N 113.905 0.3 1 594 168 168 ILE H H 8.237 0.03 1 595 168 168 ILE C C 176.799 0.3 1 596 168 168 ILE CA C 58.869 0.3 1 597 168 168 ILE N N 125.019 0.3 1 598 169 169 ILE H H 7.613 0.03 1 599 169 169 ILE C C 173.995 0.3 1 600 169 169 ILE CA C 57.907 0.3 1 601 169 169 ILE N N 120.123 0.3 1 602 170 170 ASN H H 8.44 0.03 1 603 170 170 ASN C C 177.284 0.3 1 604 170 170 ASN CA C 51.973 0.3 1 605 170 170 ASN N N 119.96 0.3 1 606 171 171 GLU H H 9.102 0.03 1 607 171 171 GLU CA C 61.149 0.3 1 608 171 171 GLU N N 123.638 0.3 1 609 173 173 THR C C 174.928 0.3 1 610 173 173 THR CA C 66.484 0.3 1 611 174 174 ALA H H 7.856 0.03 1 612 174 174 ALA C C 179.286 0.3 1 613 174 174 ALA CA C 55.517 0.3 1 614 174 174 ALA N N 123.878 0.3 1 615 175 175 ALA H H 8.204 0.03 1 616 175 175 ALA C C 178.388 0.3 1 617 175 175 ALA CA C 55.69 0.3 1 618 175 175 ALA N N 119.304 0.3 1 619 176 176 ALA H H 7.651 0.03 1 620 176 176 ALA C C 180.079 0.3 1 621 176 176 ALA CA C 55.955 0.3 1 622 176 176 ALA N N 119.712 0.3 1 623 177 177 LEU H H 8.088 0.03 1 624 177 177 LEU CA C 57.848 0.3 1 625 177 177 LEU N N 118.928 0.3 1 626 180 180 GLY C C 177.149 0.3 1 627 180 180 GLY CA C 46.446 0.3 1 628 181 181 LEU H H 7.916 0.03 1 629 181 181 LEU C C 176.109 0.3 1 630 181 181 LEU CA C 56.328 0.3 1 631 181 181 LEU N N 118.018 0.3 1 632 182 182 ASP H H 9.772 0.03 1 633 182 182 ASP C C 175.179 0.3 1 634 182 182 ASP CA C 54.537 0.3 1 635 182 182 ASP N N 115.602 0.3 1 636 183 183 LYS H H 7.202 0.03 1 637 183 183 LYS C C 177.102 0.3 1 638 183 183 LYS CA C 55.981 0.3 1 639 183 183 LYS N N 119.292 0.3 1 640 184 184 GLY H H 7.882 0.03 1 641 184 184 GLY C C 173.442 0.3 1 642 184 184 GLY CA C 44.364 0.3 1 643 184 184 GLY N N 109.63 0.3 1 644 185 185 THR H H 8.1 0.03 1 645 185 185 THR C C 175.109 0.3 1 646 185 185 THR CA C 61.442 0.3 1 647 185 185 THR N N 114.079 0.3 1 648 186 186 GLY H H 8.435 0.03 1 649 186 186 GLY C C 172.729 0.3 1 650 186 186 GLY CA C 44.556 0.3 1 651 186 186 GLY N N 112.915 0.3 1 652 187 187 ASN H H 8.201 0.03 1 653 187 187 ASN C C 175.354 0.3 1 654 187 187 ASN CA C 53.364 0.3 1 655 187 187 ASN N N 120.499 0.3 1 656 188 188 ARG H H 8.458 0.03 1 657 188 188 ARG C C 174.296 0.3 1 658 188 188 ARG CA C 55.359 0.3 1 659 188 188 ARG N N 123.042 0.3 1 660 189 189 THR H H 9.759 0.03 1 661 189 189 THR C C 174.343 0.3 1 662 189 189 THR CA C 62.33 0.3 1 663 189 189 THR N N 122.022 0.3 1 664 190 190 ILE H H 9.438 0.03 1 665 190 190 ILE C C 174.122 0.3 1 666 190 190 ILE CA C 58.507 0.3 1 667 190 190 ILE N N 124.285 0.3 1 668 191 191 ALA H H 8.378 0.03 1 669 191 191 ALA C C 174.912 0.3 1 670 191 191 ALA CA C 49.923 0.3 1 671 191 191 ALA N N 125.101 0.3 1 672 192 192 VAL H H 9.125 0.03 1 673 192 192 VAL C C 173.758 0.3 1 674 192 192 VAL CA C 62.258 0.3 1 675 192 192 VAL N N 122.988 0.3 1 676 193 193 TYR H H 8.631 0.03 1 677 193 193 TYR C C 171.53 0.3 1 678 193 193 TYR CA C 58.177 0.3 1 679 193 193 TYR N N 134.146 0.3 1 680 194 194 ASP H H 8.335 0.03 1 681 194 194 ASP CA C 51.882 0.3 1 682 194 194 ASP N N 129.886 0.3 1 683 200 200 PHE C C 173.995 0.3 1 684 200 200 PHE CA C 55.45 0.3 1 685 201 201 ASP H H 8.799 0.03 1 686 201 201 ASP C C 172.131 0.3 1 687 201 201 ASP CA C 53.972 0.3 1 688 201 201 ASP N N 130.529 0.3 1 689 202 202 ILE H H 7.98 0.03 1 690 202 202 ILE C C 173.569 0.3 1 691 202 202 ILE CA C 55.917 0.3 1 692 202 202 ILE N N 119.046 0.3 1 693 203 203 SER H H 7.999 0.03 1 694 203 203 SER C C 172.083 0.3 1 695 203 203 SER CA C 57.023 0.3 1 696 203 203 SER N N 120.457 0.3 1 697 204 204 ILE H H 8.827 0.03 1 698 204 204 ILE C C 175.169 0.3 1 699 204 204 ILE CA C 59.176 0.3 1 700 204 204 ILE N N 126.015 0.3 1 701 205 205 ILE H H 9.203 0.03 1 702 205 205 ILE C C 172.952 0.3 1 703 205 205 ILE CA C 58.601 0.3 1 704 205 205 ILE N N 126.649 0.3 1 705 206 206 GLU H H 9.31 0.03 1 706 206 206 GLU C C 175.196 0.3 1 707 206 206 GLU CA C 54.577 0.3 1 708 206 206 GLU N N 126.998 0.3 1 709 207 207 ILE H H 9.276 0.03 1 710 207 207 ILE C C 174.643 0.3 1 711 207 207 ILE CA C 60.517 0.3 1 712 207 207 ILE N N 130.241 0.3 1 713 208 208 ASP H H 8.123 0.03 1 714 208 208 ASP C C 174.525 0.3 1 715 208 208 ASP CA C 52.25 0.3 1 716 208 208 ASP N N 127.905 0.3 1 717 209 209 GLU H H 8.597 0.03 1 718 209 209 GLU C C 175.307 0.3 1 719 209 209 GLU CA C 55.702 0.3 1 720 209 209 GLU N N 121.801 0.3 1 721 210 210 VAL H H 8.662 0.03 1 722 210 210 VAL C C 175.979 0.3 1 723 210 210 VAL CA C 62.039 0.3 1 724 210 210 VAL N N 127.19 0.3 1 725 211 211 ASP H H 9.262 0.03 1 726 211 211 ASP C C 176.018 0.3 1 727 211 211 ASP CA C 55.649 0.3 1 728 211 211 ASP N N 129.481 0.3 1 729 212 212 GLY H H 8.492 0.03 1 730 212 212 GLY C C 173.649 0.3 1 731 212 212 GLY CA C 45.389 0.3 1 732 212 212 GLY N N 104.332 0.3 1 733 213 213 GLU H H 7.734 0.03 1 734 213 213 GLU C C 175.228 0.3 1 735 213 213 GLU CA C 54.689 0.3 1 736 213 213 GLU N N 121.709 0.3 1 737 214 214 LYS H H 8.561 0.03 1 738 214 214 LYS C C 176.846 0.3 1 739 214 214 LYS CA C 54.885 0.3 1 740 214 214 LYS N N 123.537 0.3 1 741 215 215 THR H H 8.693 0.03 1 742 215 215 THR C C 172.03 0.3 1 743 215 215 THR CA C 60.229 0.3 1 744 215 215 THR N N 117.394 0.3 1 745 216 216 PHE H H 8.388 0.03 1 746 216 216 PHE C C 175.607 0.3 1 747 216 216 PHE CA C 56.327 0.3 1 748 216 216 PHE N N 120.914 0.3 1 749 217 217 GLU H H 8.897 0.03 1 750 217 217 GLU C C 175.486 0.3 1 751 217 217 GLU CA C 55.09 0.3 1 752 217 217 GLU N N 125.223 0.3 1 753 218 218 VAL H H 8.917 0.03 1 754 218 218 VAL C C 176.113 0.3 1 755 218 218 VAL CA C 63.189 0.3 1 756 218 218 VAL N N 126.373 0.3 1 757 219 219 LEU H H 9.163 0.03 1 758 219 219 LEU C C 177.919 0.3 1 759 219 219 LEU CA C 56.123 0.3 1 760 219 219 LEU N N 129.686 0.3 1 761 220 220 ALA H H 7.52 0.03 1 762 220 220 ALA C C 175.797 0.3 1 763 220 220 ALA CA C 52.979 0.3 1 764 220 220 ALA N N 116.909 0.3 1 765 221 221 THR H H 8.515 0.03 1 766 221 221 THR C C 172.962 0.3 1 767 221 221 THR CA C 60.03 0.3 1 768 221 221 THR N N 111.674 0.3 1 769 222 222 ASN H H 9.148 0.03 1 770 222 222 ASN C C 174.548 0.3 1 771 222 222 ASN CA C 53.123 0.3 1 772 222 222 ASN N N 123.724 0.3 1 773 223 223 GLY H H 10.256 0.03 1 774 223 223 GLY C C 170.835 0.3 1 775 223 223 GLY CA C 46.172 0.3 1 776 223 223 GLY N N 113.242 0.3 1 777 224 224 ASP H H 8.658 0.03 1 778 224 224 ASP C C 177.029 0.3 1 779 224 224 ASP CA C 54.218 0.3 1 780 224 224 ASP N N 119.607 0.3 1 781 225 225 THR H H 8.772 0.03 1 782 225 225 THR C C 174.596 0.3 1 783 225 225 THR CA C 63.718 0.3 1 784 225 225 THR N N 120.316 0.3 1 785 226 226 HIS H H 8.978 0.03 1 786 226 226 HIS C C 172.842 0.3 1 787 226 226 HIS CA C 55.067 0.3 1 788 226 226 HIS N N 119.917 0.3 1 789 227 227 LEU H H 6.787 0.03 1 790 227 227 LEU C C 173.79 0.3 1 791 227 227 LEU CA C 53.795 0.3 1 792 227 227 LEU N N 123.046 0.3 1 793 228 228 GLY H H 8.737 0.03 1 794 228 228 GLY C C 175.56 0.3 1 795 228 228 GLY CA C 44.337 0.3 1 796 228 228 GLY N N 109.632 0.3 1 797 229 229 GLY H H 9.109 0.03 1 798 229 229 GLY C C 176.587 0.3 1 799 229 229 GLY CA C 47.924 0.3 1 800 229 229 GLY N N 109.036 0.3 1 801 230 230 GLU H H 9.091 0.03 1 802 230 230 GLU C C 179.937 0.3 1 803 230 230 GLU CA C 59.506 0.3 1 804 230 230 GLU N N 120.183 0.3 1 805 231 231 ASP H H 8.141 0.03 1 806 231 231 ASP CA C 55.916 0.3 1 807 231 231 ASP N N 116.958 0.3 1 808 233 233 ASP C C 179.036 0.3 1 809 233 233 ASP CA C 57.723 0.3 1 810 234 234 SER H H 8.322 0.03 1 811 234 234 SER C C 176.381 0.3 1 812 234 234 SER CA C 61.977 0.3 1 813 234 234 SER N N 115.065 0.3 1 814 235 235 ARG H H 7.184 0.03 1 815 235 235 ARG C C 179.558 0.3 1 816 235 235 ARG CA C 56.857 0.3 1 817 235 235 ARG N N 118.08 0.3 1 818 236 236 LEU H H 7.109 0.03 1 819 236 236 LEU C C 177.725 0.3 1 820 236 236 LEU CA C 57.574 0.3 1 821 236 236 LEU N N 120.561 0.3 1 822 237 237 ILE H H 8.805 0.03 1 823 237 237 ILE C C 177.159 0.3 1 824 237 237 ILE CA C 66.843 0.3 1 825 237 237 ILE N N 121.226 0.3 1 826 238 238 ASN H H 8.253 0.03 1 827 238 238 ASN CA C 56.874 0.3 1 828 238 238 ASN N N 116.349 0.3 1 829 239 239 TYR C C 176.413 0.3 1 830 239 239 TYR CA C 61.361 0.3 1 831 240 240 LEU H H 8.152 0.03 1 832 240 240 LEU C C 179.269 0.3 1 833 240 240 LEU CA C 58.308 0.3 1 834 240 240 LEU N N 119.687 0.3 1 835 241 241 VAL H H 8.51 0.03 1 836 241 241 VAL C C 179.885 0.3 1 837 241 241 VAL CA C 66.902 0.3 1 838 241 241 VAL N N 118.53 0.3 1 839 242 242 GLU H H 8.329 0.03 1 840 242 242 GLU C C 179.997 0.3 1 841 242 242 GLU CA C 59.665 0.3 1 842 242 242 GLU N N 122.308 0.3 1 843 243 243 GLU H H 8.608 0.03 1 844 243 243 GLU CA C 59.128 0.3 1 845 243 243 GLU N N 121.613 0.3 1 846 244 244 PHE C C 177.729 0.3 1 847 244 244 PHE CA C 62.138 0.3 1 848 245 245 LYS H H 8.12 0.03 1 849 245 245 LYS C C 179.693 0.3 1 850 245 245 LYS CA C 59.697 0.3 1 851 245 245 LYS N N 120.54 0.3 1 852 246 246 LYS H H 7.823 0.03 1 853 246 246 LYS C C 177.789 0.3 1 854 246 246 LYS CA C 59.497 0.3 1 855 246 246 LYS N N 120.835 0.3 1 856 247 247 ASP H H 7.705 0.03 1 857 247 247 ASP C C 177.339 0.3 1 858 247 247 ASP CA C 56.849 0.3 1 859 247 247 ASP N N 117.282 0.3 1 860 248 248 GLN H H 8.179 0.03 1 861 248 248 GLN C C 177.279 0.3 1 862 248 248 GLN CA C 55.262 0.3 1 863 248 248 GLN N N 113.508 0.3 1 864 249 249 GLY H H 7.74 0.03 1 865 249 249 GLY C C 173.489 0.3 1 866 249 249 GLY CA C 46.289 0.3 1 867 249 249 GLY N N 108.696 0.3 1 868 250 250 ILE H H 6.189 0.03 1 869 250 250 ILE C C 173.839 0.3 1 870 250 250 ILE CA C 59.908 0.3 1 871 250 250 ILE N N 118.811 0.3 1 872 251 251 ASP H H 8.897 0.03 1 873 251 251 ASP C C 176.887 0.3 1 874 251 251 ASP CA C 52.249 0.3 1 875 251 251 ASP N N 128.035 0.3 1 876 252 252 LEU H H 9.051 0.03 1 877 252 252 LEU C C 177.014 0.3 1 878 252 252 LEU CA C 56.633 0.3 1 879 252 252 LEU N N 128.084 0.3 1 880 253 253 ARG H H 8.056 0.03 1 881 253 253 ARG C C 177.883 0.3 1 882 253 253 ARG CA C 58.911 0.3 1 883 253 253 ARG N N 115.446 0.3 1 884 254 254 ASN H H 7.173 0.03 1 885 254 254 ASN C C 173.659 0.3 1 886 254 254 ASN CA C 53.412 0.3 1 887 254 254 ASN N N 114.254 0.3 1 888 255 255 ASP H H 7.876 0.03 1 889 255 255 ASP CA C 50.521 0.3 1 890 255 255 ASP N N 122.276 0.3 1 891 256 256 PRO C C 179.953 0.3 1 892 256 256 PRO CA C 64.921 0.3 1 893 257 257 LEU H H 7.68 0.03 1 894 257 257 LEU C C 179.732 0.3 1 895 257 257 LEU CA C 57.821 0.3 1 896 257 257 LEU N N 119.788 0.3 1 897 258 258 ALA H H 7.551 0.03 1 898 258 258 ALA C C 180.601 0.3 1 899 258 258 ALA CA C 55.159 0.3 1 900 258 258 ALA N N 125.189 0.3 1 901 259 259 MET H H 8.149 0.03 1 902 259 259 MET C C 179.943 0.3 1 903 259 259 MET CA C 56.276 0.3 1 904 259 259 MET N N 114.639 0.3 1 905 260 260 GLN H H 7.738 0.03 1 906 260 260 GLN CA C 59.397 0.3 1 907 260 260 GLN N N 122.138 0.3 1 908 261 261 ARG C C 180.221 0.3 1 909 261 261 ARG CA C 59.513 0.3 1 910 262 262 LEU H H 8.757 0.03 1 911 262 262 LEU C C 178.088 0.3 1 912 262 262 LEU CA C 58.149 0.3 1 913 262 262 LEU N N 122.627 0.3 1 914 263 263 LYS H H 8.092 0.03 1 915 263 263 LYS C C 178.736 0.3 1 916 263 263 LYS CA C 60.116 0.3 1 917 263 263 LYS N N 121.183 0.3 1 918 264 264 GLU H H 7.295 0.03 1 919 264 264 GLU C C 179.02 0.3 1 920 264 264 GLU CA C 59.287 0.3 1 921 264 264 GLU N N 118.789 0.3 1 922 265 265 ALA H H 8.133 0.03 1 923 265 265 ALA C C 180.774 0.3 1 924 265 265 ALA CA C 54.896 0.3 1 925 265 265 ALA N N 122.44 0.3 1 926 266 266 ALA H H 8.966 0.03 1 927 266 266 ALA C C 179.637 0.3 1 928 266 266 ALA CA C 55.334 0.3 1 929 266 266 ALA N N 123.237 0.3 1 930 267 267 GLU H H 7.735 0.03 1 931 267 267 GLU C C 178.357 0.3 1 932 267 267 GLU CA C 60.191 0.3 1 933 267 267 GLU N N 120.465 0.3 1 934 268 268 LYS H H 7.408 0.03 1 935 268 268 LYS C C 179.005 0.3 1 936 268 268 LYS CA C 59.322 0.3 1 937 268 268 LYS N N 118.679 0.3 1 938 269 269 ALA H H 8.35 0.03 1 939 269 269 ALA C C 179.178 0.3 1 940 269 269 ALA CA C 54.896 0.3 1 941 269 269 ALA N N 121.97 0.3 1 942 270 270 LYS H H 7.868 0.03 1 943 270 270 LYS C C 178.768 0.3 1 944 270 270 LYS CA C 59.979 0.3 1 945 270 270 LYS N N 116.946 0.3 1 946 271 271 ILE H H 7.411 0.03 1 947 271 271 ILE CA C 64.871 0.3 1 948 271 271 ILE N N 120.78 0.3 1 949 274 274 SER C C 173.253 0.3 1 950 275 275 SER H H 7.417 0.03 1 951 275 275 SER C C 173.095 0.3 1 952 275 275 SER CA C 59.041 0.3 1 953 275 275 SER N N 113.401 0.3 1 954 276 276 ALA H H 8.215 0.03 1 955 276 276 ALA C C 176.966 0.3 1 956 276 276 ALA CA C 51.254 0.3 1 957 276 276 ALA N N 126.061 0.3 1 958 277 277 GLN H H 8.686 0.03 1 959 277 277 GLN C C 176.302 0.3 1 960 277 277 GLN CA C 56.932 0.3 1 961 277 277 GLN N N 114.984 0.3 1 962 278 278 GLN H H 7.489 0.03 1 963 278 278 GLN C C 172.487 0.3 1 964 278 278 GLN CA C 55.202 0.3 1 965 278 278 GLN N N 115.117 0.3 1 966 279 279 THR H H 8.505 0.03 1 967 279 279 THR C C 170.082 0.3 1 968 279 279 THR CA C 60.679 0.3 1 969 279 279 THR N N 116.348 0.3 1 970 280 280 ASP H H 7.961 0.03 1 971 280 280 ASP C C 175.719 0.3 1 972 280 280 ASP CA C 53.698 0.3 1 973 280 280 ASP N N 124.133 0.3 1 974 281 281 VAL H H 9.274 0.03 1 975 281 281 VAL C C 173.429 0.3 1 976 281 281 VAL CA C 63.107 0.3 1 977 281 281 VAL N N 127.134 0.3 1 978 282 282 ASN H H 8.338 0.03 1 979 282 282 ASN C C 174.138 0.3 1 980 282 282 ASN CA C 51.836 0.3 1 981 282 282 ASN N N 128.015 0.3 1 982 283 283 LEU H H 8.821 0.03 1 983 283 283 LEU CA C 51.002 0.3 1 984 283 283 LEU N N 124.961 0.3 1 985 284 284 PRO C C 177.598 0.3 1 986 284 284 PRO CA C 62.252 0.3 1 987 285 285 TYR H H 11.988 0.03 1 988 285 285 TYR C C 176.903 0.3 1 989 285 285 TYR CA C 59.038 0.3 1 990 285 285 TYR N N 126.929 0.3 1 991 286 286 ILE H H 7.973 0.03 1 992 286 286 ILE C C 174.049 0.3 1 993 286 286 ILE CA C 60.069 0.3 1 994 286 286 ILE N N 121.082 0.3 1 995 287 287 THR H H 7.355 0.03 1 996 287 287 THR C C 171.679 0.3 1 997 287 287 THR CA C 60.555 0.3 1 998 287 287 THR N N 112.796 0.3 1 999 288 288 ALA H H 8.371 0.03 1 1000 288 288 ALA C C 175.601 0.3 1 1001 288 288 ALA CA C 52.38 0.3 1 1002 288 288 ALA N N 124.499 0.3 1 1003 289 289 ASP H H 8.025 0.03 1 1004 289 289 ASP CA C 52.849 0.3 1 1005 289 289 ASP N N 122.724 0.3 1 1006 290 290 ALA C C 179.442 0.3 1 1007 290 290 ALA CA C 55.17 0.3 1 1008 291 291 THR H H 8.521 0.03 1 1009 291 291 THR C C 174.949 0.3 1 1010 291 291 THR CA C 62.668 0.3 1 1011 291 291 THR N N 109.413 0.3 1 1012 292 292 GLY H H 7.764 0.03 1 1013 292 292 GLY CA C 44.389 0.3 1 1014 292 292 GLY N N 111.788 0.3 1 1015 293 293 PRO C C 175.844 0.3 1 1016 293 293 PRO CA C 62.497 0.3 1 1017 294 294 LYS H H 8.125 0.03 1 1018 294 294 LYS C C 174.125 0.3 1 1019 294 294 LYS CA C 52.859 0.3 1 1020 294 294 LYS N N 119.022 0.3 1 1021 295 295 HIS H H 8.462 0.03 1 1022 295 295 HIS C C 174.949 0.3 1 1023 295 295 HIS CA C 54.35 0.3 1 1024 295 295 HIS N N 120.146 0.3 1 1025 296 296 MET H H 8.097 0.03 1 1026 296 296 MET C C 175.307 0.3 1 1027 296 296 MET CA C 54.789 0.3 1 1028 296 296 MET N N 123.61 0.3 1 1029 297 297 ASN H H 9.305 0.03 1 1030 297 297 ASN C C 173.299 0.3 1 1031 297 297 ASN CA C 53.917 0.3 1 1032 297 297 ASN N N 129.795 0.3 1 1033 298 298 ILE H H 8.427 0.03 1 1034 298 298 ILE C C 173.785 0.3 1 1035 298 298 ILE CA C 60.627 0.3 1 1036 298 298 ILE N N 125.447 0.3 1 1037 299 299 LYS H H 8.545 0.03 1 1038 299 299 LYS C C 176.209 0.3 1 1039 299 299 LYS CA C 55.953 0.3 1 1040 299 299 LYS N N 130.156 0.3 1 1041 300 300 VAL H H 9.027 0.03 1 1042 300 300 VAL C C 175.324 0.3 1 1043 300 300 VAL CA C 61.71 0.3 1 1044 300 300 VAL N N 127.398 0.3 1 1045 301 301 THR H H 7.798 0.03 1 1046 301 301 THR C C 174.943 0.3 1 1047 301 301 THR CA C 59.929 0.3 1 1048 301 301 THR N N 116.324 0.3 1 1049 302 302 ARG H H 8.721 0.03 1 1050 302 302 ARG C C 177.459 0.3 1 1051 302 302 ARG CA C 60.159 0.3 1 1052 302 302 ARG N N 123.969 0.3 1 1053 303 303 ALA H H 8.415 0.03 1 1054 303 303 ALA C C 180.68 0.3 1 1055 303 303 ALA CA C 55.279 0.3 1 1056 303 303 ALA N N 120.597 0.3 1 1057 304 304 LYS H H 7.99 0.03 1 1058 304 304 LYS C C 178.905 0.3 1 1059 304 304 LYS CA C 57.217 0.3 1 1060 304 304 LYS N N 120.836 0.3 1 1061 305 305 LEU H H 7.936 0.03 1 1062 305 305 LEU C C 178.199 0.3 1 1063 305 305 LEU CA C 58.752 0.3 1 1064 305 305 LEU N N 121.438 0.3 1 1065 306 306 GLU H H 8.719 0.03 1 1066 306 306 GLU C C 178.689 0.3 1 1067 306 306 GLU CA C 60.246 0.3 1 1068 306 306 GLU N N 116.893 0.3 1 1069 307 307 SER H H 7.65 0.03 1 1070 307 307 SER CA C 61.252 0.3 1 1071 307 307 SER N N 113.692 0.3 1 1072 308 308 LEU C C 179.019 0.3 1 1073 308 308 LEU CA C 56.821 0.3 1 1074 309 309 VAL H H 7.31 0.03 1 1075 309 309 VAL C C 176.919 0.3 1 1076 309 309 VAL CA C 60.533 0.3 1 1077 309 309 VAL N N 106.275 0.3 1 1078 310 310 GLU H H 7.658 0.03 1 1079 310 310 GLU C C 176.929 0.3 1 1080 310 310 GLU CA C 61.122 0.3 1 1081 310 310 GLU N N 126.674 0.3 1 1082 311 311 ASP H H 8.755 0.03 1 1083 311 311 ASP C C 178.609 0.3 1 1084 311 311 ASP CA C 56.749 0.3 1 1085 311 311 ASP N N 115.245 0.3 1 1086 312 312 LEU H H 7.081 0.03 1 1087 312 312 LEU C C 178.215 0.3 1 1088 312 312 LEU CA C 57.419 0.3 1 1089 312 312 LEU N N 121.933 0.3 1 1090 313 313 VAL H H 7.378 0.03 1 1091 313 313 VAL C C 180.332 0.3 1 1092 313 313 VAL CA C 67.269 0.3 1 1093 313 313 VAL N N 117.639 0.3 1 1094 314 314 ASN H H 8.493 0.03 1 1095 314 314 ASN C C 178.752 0.3 1 1096 314 314 ASN CA C 56.354 0.3 1 1097 314 314 ASN N N 121.358 0.3 1 1098 315 315 ARG H H 7.849 0.03 1 1099 315 315 ARG C C 177.898 0.3 1 1100 315 315 ARG CA C 59.073 0.3 1 1101 315 315 ARG N N 122.354 0.3 1 1102 316 316 SER H H 7.383 0.03 1 1103 316 316 SER C C 172.257 0.3 1 1104 316 316 SER CA C 60.544 0.3 1 1105 316 316 SER N N 115.654 0.3 1 1106 317 317 ILE H H 7.002 0.03 1 1107 317 317 ILE C C 178.136 0.3 1 1108 317 317 ILE CA C 60.807 0.3 1 1109 317 317 ILE N N 119.579 0.3 1 1110 318 318 GLU H H 7.368 0.03 1 1111 318 318 GLU CA C 61.289 0.3 1 1112 318 318 GLU N N 119.468 0.3 1 1113 320 320 LEU C C 177.893 0.3 1 1114 320 320 LEU CA C 58.533 0.3 1 1115 321 321 LYS H H 7.472 0.03 1 1116 321 321 LYS C C 179.984 0.3 1 1117 321 321 LYS CA C 60.071 0.3 1 1118 321 321 LYS N N 117.589 0.3 1 1119 322 322 VAL H H 7.321 0.03 1 1120 322 322 VAL C C 177.089 0.3 1 1121 322 322 VAL CA C 66.484 0.3 1 1122 322 322 VAL N N 120.27 0.3 1 1123 323 323 ALA H H 8.074 0.03 1 1124 323 323 ALA C C 179.519 0.3 1 1125 323 323 ALA CA C 55.126 0.3 1 1126 323 323 ALA N N 122.516 0.3 1 1127 324 324 LEU H H 7.681 0.03 1 1128 324 324 LEU C C 178.726 0.3 1 1129 324 324 LEU CA C 58.854 0.3 1 1130 324 324 LEU N N 115.679 0.3 1 1131 325 325 GLN H H 7.656 0.03 1 1132 325 325 GLN CA C 59.357 0.3 1 1133 325 325 GLN N N 119.389 0.3 1 1134 326 326 ASP C C 178.319 0.3 1 1135 326 326 ASP CA C 57.303 0.3 1 1136 327 327 ALA H H 7.856 0.03 1 1137 327 327 ALA C C 176.699 0.3 1 1138 327 327 ALA CA C 52.479 0.3 1 1139 327 327 ALA N N 120.4 0.3 1 1140 328 328 GLY H H 7.874 0.03 1 1141 328 328 GLY C C 174.596 0.3 1 1142 328 328 GLY CA C 45.99 0.3 1 1143 328 328 GLY N N 109.274 0.3 1 1144 329 329 LEU H H 7.931 0.03 1 1145 329 329 LEU C C 175.736 0.3 1 1146 329 329 LEU CA C 53.42 0.3 1 1147 329 329 LEU N N 119.433 0.3 1 1148 330 330 SER H H 9.191 0.03 1 1149 330 330 SER C C 176.445 0.3 1 1150 330 330 SER CA C 56.649 0.3 1 1151 330 330 SER N N 116.778 0.3 1 1152 331 331 VAL H H 8.66 0.03 1 1153 331 331 VAL C C 178.219 0.3 1 1154 331 331 VAL CA C 66.766 0.3 1 1155 331 331 VAL N N 119.299 0.3 1 1156 332 332 SER H H 7.626 0.03 1 1157 332 332 SER C C 174.889 0.3 1 1158 332 332 SER CA C 60.15 0.3 1 1159 332 332 SER N N 113.899 0.3 1 1160 333 333 ASP H H 7.701 0.03 1 1161 333 333 ASP C C 174.949 0.3 1 1162 333 333 ASP CA C 55.649 0.3 1 1163 333 333 ASP N N 120.343 0.3 1 1164 334 334 ILE H H 7.066 0.03 1 1165 334 334 ILE C C 175.099 0.3 1 1166 334 334 ILE CA C 58.344 0.3 1 1167 334 334 ILE N N 119.052 0.3 1 1168 335 335 ASP H H 8.966 0.03 1 1169 335 335 ASP C C 175.736 0.3 1 1170 335 335 ASP CA C 57.778 0.3 1 1171 335 335 ASP N N 128.378 0.3 1 1172 336 336 ASP H H 7.152 0.03 1 1173 336 336 ASP C C 173.079 0.3 1 1174 336 336 ASP CA C 53.612 0.3 1 1175 336 336 ASP N N 115.107 0.3 1 1176 337 337 VAL H H 8.746 0.03 1 1177 337 337 VAL C C 174.153 0.3 1 1178 337 337 VAL CA C 60.04 0.3 1 1179 337 337 VAL N N 121.942 0.3 1 1180 338 338 ILE H H 8.649 0.03 1 1181 338 338 ILE CA C 59.422 0.3 1 1182 338 338 ILE N N 121.392 0.3 1 1183 339 339 LEU C C 175.797 0.3 1 1184 339 339 LEU CA C 54.261 0.3 1 1185 340 340 VAL H H 9.271 0.03 1 1186 340 340 VAL C C 172.763 0.3 1 1187 340 340 VAL CA C 61.655 0.3 1 1188 340 340 VAL N N 125.13 0.3 1 1189 341 341 GLY H H 7.406 0.03 1 1190 341 341 GLY C C 177.693 0.3 1 1191 341 341 GLY CA C 43.707 0.3 1 1192 341 341 GLY N N 110.126 0.3 1 1193 342 342 GLY H H 8.931 0.03 1 1194 342 342 GLY CA C 48.417 0.3 1 1195 342 342 GLY N N 114.057 0.3 1 1196 343 343 GLN C C 177.898 0.3 1 1197 343 343 GLN CA C 56.357 0.3 1 1198 344 344 THR H H 7.918 0.03 1 1199 344 344 THR C C 173.821 0.3 1 1200 344 344 THR CA C 64.485 0.3 1 1201 344 344 THR N N 108.136 0.3 1 1202 345 345 ARG H H 7.053 0.03 1 1203 345 345 ARG C C 176.35 0.3 1 1204 345 345 ARG CA C 57.432 0.3 1 1205 345 345 ARG N N 117.228 0.3 1 1206 346 346 MET H H 6.897 0.03 1 1207 346 346 MET CA C 54.59 0.3 1 1208 346 346 MET N N 119.062 0.3 1 1209 347 347 PRO C C 178.72 0.3 1 1210 347 347 PRO CA C 66.496 0.3 1 1211 348 348 MET H H 9.177 0.03 1 1212 348 348 MET C C 178.641 0.3 1 1213 348 348 MET CA C 59.78 0.3 1 1214 348 348 MET N N 117.269 0.3 1 1215 349 349 VAL H H 6.99 0.03 1 1216 349 349 VAL C C 176.634 0.3 1 1217 349 349 VAL CA C 66.502 0.3 1 1218 349 349 VAL N N 118.282 0.3 1 1219 350 350 GLN H H 7.198 0.03 1 1220 350 350 GLN C C 178.388 0.3 1 1221 350 350 GLN CA C 60.218 0.3 1 1222 350 350 GLN N N 116.95 0.3 1 1223 351 351 LYS H H 8.406 0.03 1 1224 351 351 LYS C C 178.72 0.3 1 1225 351 351 LYS CA C 59.103 0.3 1 1226 351 351 LYS N N 118.984 0.3 1 1227 352 352 LYS H H 7.857 0.03 1 1228 352 352 LYS CA C 58.764 0.3 1 1229 352 352 LYS N N 120.435 0.3 1 1230 353 353 VAL C C 177.849 0.3 1 1231 353 353 VAL CA C 67.707 0.3 1 1232 354 354 ALA H H 8.165 0.03 1 1233 354 354 ALA C C 181.802 0.3 1 1234 354 354 ALA CA C 54.732 0.3 1 1235 354 354 ALA N N 123.237 0.3 1 1236 355 355 GLU H H 8.427 0.03 1 1237 355 355 GLU CA C 58.904 0.3 1 1238 355 355 GLU N N 119.348 0.3 1 1239 356 356 PHE C C 176.935 0.3 1 1240 356 356 PHE CA C 61.858 0.3 1 1241 357 357 PHE H H 8.117 0.03 1 1242 357 357 PHE C C 176.386 0.3 1 1243 357 357 PHE CA C 60.89 0.3 1 1244 357 357 PHE N N 112.308 0.3 1 1245 358 358 GLY H H 8.226 0.03 1 1246 358 358 GLY C C 173.427 0.3 1 1247 358 358 GLY CA C 45.952 0.3 1 1248 358 358 GLY N N 109.756 0.3 1 1249 359 359 LYS H H 7.429 0.03 1 1250 359 359 LYS CA C 54.491 0.3 1 1251 359 359 LYS N N 116.476 0.3 1 1252 361 361 PRO C C 175.923 0.3 1 1253 361 361 PRO CA C 61.868 0.3 1 1254 362 362 ARG H H 8.899 0.03 1 1255 362 362 ARG C C 175.971 0.3 1 1256 362 362 ARG CA C 56.035 0.3 1 1257 362 362 ARG N N 121.807 0.3 1 1258 363 363 LYS H H 8.447 0.03 1 1259 363 363 LYS C C 176.966 0.3 1 1260 363 363 LYS CA C 55.359 0.3 1 1261 363 363 LYS N N 117.917 0.3 1 1262 364 364 ASP H H 9.127 0.03 1 1263 364 364 ASP C C 175.591 0.3 1 1264 364 364 ASP CA C 55.697 0.3 1 1265 364 364 ASP N N 118.032 0.3 1 1266 365 365 VAL H H 6.988 0.03 1 1267 365 365 VAL C C 174.201 0.3 1 1268 365 365 VAL CA C 60.943 0.3 1 1269 365 365 VAL N N 118.953 0.3 1 1270 366 366 ASN H H 8.443 0.03 1 1271 366 366 ASN CA C 51.863 0.3 1 1272 366 366 ASN N N 126.952 0.3 1 1273 372 372 ALA C C 179.937 0.3 1 1274 372 372 ALA CA C 55.488 0.3 1 1275 373 373 ILE H H 8.112 0.03 1 1276 373 373 ILE C C 178.246 0.3 1 1277 373 373 ILE CA C 66.213 0.3 1 1278 373 373 ILE N N 116.989 0.3 1 1279 374 374 GLY H H 8.311 0.03 1 1280 374 374 GLY C C 175.702 0.3 1 1281 374 374 GLY CA C 47.075 0.3 1 1282 374 374 GLY N N 107.583 0.3 1 1283 375 375 ALA H H 8.024 0.03 1 1284 375 375 ALA C C 179.02 0.3 1 1285 375 375 ALA CA C 55.252 0.3 1 1286 375 375 ALA N N 124.167 0.3 1 1287 376 376 ALA H H 8.125 0.03 1 1288 376 376 ALA C C 180.445 0.3 1 1289 376 376 ALA CA C 55.08 0.3 1 1290 376 376 ALA N N 122.387 0.3 1 1291 377 377 VAL H H 8.551 0.03 1 1292 377 377 VAL C C 179.7 0.3 1 1293 377 377 VAL CA C 66.612 0.3 1 1294 377 377 VAL N N 122.85 0.3 1 1295 378 378 GLN H H 8.189 0.03 1 1296 378 378 GLN C C 179.012 0.3 1 1297 378 378 GLN CA C 58. 0.3 1 1298 378 378 GLN N N 120.095 0.3 1 1299 379 379 GLY H H 8.29 0.03 1 1300 379 379 GLY C C 174.966 0.3 1 1301 379 379 GLY CA C 47.376 0.3 1 1302 379 379 GLY N N 107.939 0.3 1 1303 380 380 GLY H H 8.102 0.03 1 1304 380 380 GLY C C 175.734 0.3 1 1305 380 380 GLY CA C 46.389 0.3 1 1306 380 380 GLY N N 108.77 0.3 1 1307 381 381 VAL H H 7.493 0.03 1 1308 381 381 VAL C C 177.729 0.3 1 1309 381 381 VAL CA C 63.956 0.3 1 1310 381 381 VAL N N 118.563 0.3 1 1311 382 382 LEU H H 7.443 0.03 1 1312 382 382 LEU C C 177.669 0.3 1 1313 382 382 LEU CA C 55.794 0.3 1 1314 382 382 LEU N N 121.147 0.3 1 1315 383 383 THR H H 7.696 0.03 1 1316 383 383 THR C C 175.235 0.3 1 1317 383 383 THR CA C 62.929 0.3 1 1318 383 383 THR N N 113.754 0.3 1 1319 384 384 GLY H H 8.08 0.03 1 1320 384 384 GLY C C 173.727 0.3 1 1321 384 384 GLY CA C 45.39 0.3 1 1322 384 384 GLY N N 111.199 0.3 1 1323 385 385 ASP H H 8.172 0.03 1 1324 385 385 ASP C C 176.023 0.3 1 1325 385 385 ASP CA C 54.55 0.3 1 1326 385 385 ASP N N 121.655 0.3 1 1327 386 386 VAL H H 7.926 0.03 1 1328 386 386 VAL C C 175.859 0.3 1 1329 386 386 VAL CA C 62.577 0.3 1 1330 386 386 VAL N N 121.425 0.3 1 1331 387 387 LYS H H 8.332 0.03 1 1332 387 387 LYS C C 175.239 0.3 1 1333 387 387 LYS CA C 55.96 0.3 1 1334 387 387 LYS N N 126.96 0.3 1 1335 388 388 ASP H H 7.86 0.03 1 1336 388 388 ASP CA C 55.95 0.3 1 1337 388 388 ASP N N 128.081 0.3 1 stop_ save_